SCHEMBL26847516

SCHEMBL26847516

Cc1ccc(-c2cc(C)n(C)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ SYK P43405 1/20 0.38
▸ RET P07949 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30567671 0.84 NPC1 (0.42) HPGDSPTGS2SYKALDH1A1SMN1; SMN2
SCHEMBL25406780 0.84 NPC1 (0.42) HPGDSPTGS2SYKALDH1A1SMN1; SMN2
SCHEMBL26847558 0.80 KLK3 (0.45) RETSMN1; SMN2PIK3CA
SCHEMBL26849009 0.79 SLC34A1 (0.43) PDE10APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL26847489 0.78 HDAC3 (0.39) HPGDSPTGS2SYKALDH1A1PDE10A
SCHEMBL26847613 0.78 CYP19A1 (0.45) SYKRETALDH1A1KDM4ENPC1
SCHEMBL14996633 0.77 SMN1; SMN2 (0.51) PTGS2ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL27710727 0.76 HDAC3 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6353585 0.74 ALDH1A1 (0.38) PTGS2RETALDH1A1SMN1; SMN2KDM4E
SCHEMBL16202036 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 HPGDS 1967/4885PTGS2 2259/4885SYK 3763/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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